Related papers: ReactionKinetics---A Mathematica Package with Appl…
The theory of chemical kinetics form the basis to describe the dynamics of chemical systems. Owing to physical and thermodynamic constraints, chemical reaction systems possess various structures, which can be utilized to characterize…
The effective equations of motion for a point charged particle taking account of radiation reaction are considered in various space-time dimensions. The divergencies steaming from the pointness of the particle are studied and the effective…
Scenarios are developed for runs at a Linear Collider, in the case that there is a rich program of new physics.
Mathematica is a versatile equipment for doing numeric and symbolic computations and it has wide spread applications in all branches of science. Mathematica has a complete consistency to design it at every stage that gives it multilevel…
Computation, the use of a computer to solve, simulate, or visualize a physical problem, has revolutionized how physics research is done. Computation is used widely to model systems, to simulate experiments, and to analyze data. Yet, in most…
In order to work with mathematical content in computer systems, it is necessary to represent it in formal languages. Ideally, these are supported by tools that verify the correctness of the content, allow computing with it, and produce…
This review focuses on nuclear reactions in astrophysics and, more specifically, on reactions with light ions (nucleons and alpha particles) proceeding via the strong interaction. It is intended to present the basic definitions essential…
Quantum mechanical methods have been devised for the elucidation and clarification of reaction paths of chemical processes over decades. While they are typically deployed in routine calculations on systems for which some insights have…
Every physical theory has (at least) two different forms of mathematical equations to represent its target systems: the dynamical (equations of motion) and the kinematical (kinematical constraints). Kinematical constraints are…
A Mathematica package for color summed calculations in QCD (SU(Nc)) is presented. Color contractions of any color amplitude appearing in QCD may be performed, and the package uses a syntax which is very similar to how color structure is…
The goal of this paper is to describe the various kinetic equations which arise from scaling limits of interacting particle systems. We provide a formalism which allows us to determine the kinetic equation for a given interaction potential…
In this short note we sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
Enzyme-catalysed reactions involve two distinct timescales. There is a short timescale on which enzymes bind to substrate molecules to produce bound complexes, and a comparatively long timescale on which the complex is transformed into a…
Studying systems where many individual bodies in motion interact with one another is a complex and interesting area. Simple mechanisms that may be determined for biological, chemical, or physical reasons can lead to astonishingly complex…
Over the past decades, kinetic description of granular materials has received a lot of attention in mathematical community and applied fields such as physics and engineering. This article aims to review recent mathematical results in…
CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric…
Chemical reaction networks (CRNs) model the behavior of chemical reactions in well-mixed solutions and they can be designed to perform computations. In this tutorial we give an overview of various computational models for CRNs. Moreover, we…
Relativistic thermodynamics as result of some recent computer simulations is derived.
Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…